cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate

C15H19BrO3 — CID 4925253

IUPACcyclohexyl 2-(4-bromo-2-methylphenoxy)acetate
SMILESCc1cc(Br)ccc1OCC(=O)OC1CCCCC1
InChIInChI=1S/C15H19BrO3/c1-11-9-12(16)7-8-14(11)18-10-15(17)19-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3
InChIKeyWHCWPROURYBSNG-UHFFFAOYSA-N
MW327.22 g/mol
LogP4.01
Rot. Bonds4

About cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate

cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate (PubChem CID 4925253) has the molecular formula C15H19BrO3 and a molecular weight of 327.22 g/mol. Its IUPAC name is cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(4-bromo-2-methylphenoxy)acetate
PubChem CID4925253
Molecular FormulaC15H19BrO3
Molecular Weight327.22 g/mol
Exact Mass326.05
IUPAC Namecyclohexyl 2-(4-bromo-2-methylphenoxy)acetate
SMILESCc1cc(Br)ccc1OCC(=O)OC1CCCCC1
InChIInChI=1S/C15H19BrO3/c1-11-9-12(16)7-8-14(11)18-10-15(17)19-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3
InChIKeyWHCWPROURYBSNG-UHFFFAOYSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,6-dimethylphenyl) 2-(4-bromo-2-methylphenoxy)acetate
CID 3307497
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide
CID 17137684
2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 4627515
2-(4-bromo-2-methylphenoxy)-N-[(E)-1-cyclopropylethylideneamino]acetamide
CID 5420418
cyclohexyl 2-(4-ethenyl-2-iodophenoxy)acetate
CID 167145675
(4-bromo-2-methylphenyl) 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 23011169
(2-bromo-4-tert-butylphenyl) 2-(4-bromo-2-methylphenoxy)acetate
CID 3357481
3-bromo-4-[2-(4-bromo-2-methylphenoxy)acetyl]oxybenzoic acid
CID 54854646
cyclohexyl 2-(4-chlorophenoxy)acetate
CID 836188
2-(4-bromo-2-methylphenoxy)-N-[3-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]propyl]acetamide
CID 4981184
2-(4-bromo-2-methylphenoxy)-1-(3-bromophenyl)ethanone
CID 55221609

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate?
The IUPAC name of cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate (CID 4925253) is cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate.
What is the SMILES notation for cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate?
The canonical SMILES for cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate is Cc1cc(Br)ccc1OCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate?
The InChIKey is WHCWPROURYBSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO3/c1-11-9-12(16)7-8-14(11)18-10-15(17)19-13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3.
What are the key properties of cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate?
cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate has a molecular weight of 327.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(4-bromo-2-methylphenoxy)acetate is sourced from PubChem (CID 4925253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).